Diffusion Guidance

Training-free camera control for pretrained flow-matching video generators is a partial-observation inverse problem: a depth-warped guidance video supplies noisy evidence on a subset of latent sites, which the sampler must reconcile with the pretrained prior. Existing methods struggle to balance the trade-off between trajectory adherence and visual quality and the heuristic guidance-strength tuning lacks robustness. We propose \textbf{$h$-control}, which resolves this dilemma through a structural change to the sampler: each outer hard-replacement guidance step is augmented with an inner-loop \emph{block-conditional pseudo-Gibbs refinement} on the unobserved complement at the same noise level, with provable convergence to the partial-observation conditional data law. To accelerate convergence on high-dimensional video latents, we exploit their conditional locality, partitioning the unobserved complement into 3D patches, each tracked by a custom mixing indicator that adaptively freezes converged patches. On RealEstate10K and DAVIS, \textbf{$h$-control} attains the best FVD against all seven training-free and training-based competitors, outperforming every training-free baseline on every reported metric.

Guided-diffusion black-box optimization (BO) has shown strong empirical performance on structured design problems such as molecules and crystals, but its regret behavior remains poorly understood. Existing BO regret analyses typically rely on maximum information gain, non-pretrained surrogate models, or exact acquisition maximization -- assumptions that break down in modern diffusion -- BO pipelines, where pretrained diffusion models serve as powerful priors over valid structures and acquisition maximization is replaced by approximate sampling over astronomically large discrete spaces. We develop a first certificate-based expected simple-regret framework for guided-diffusion BO that avoids maximum-information-gain bounds, RKHS assumptions, and exact acquisition maximization. The central quantity in our analysis is mass lift: the increase in probability mass assigned to near-optimal designs relative to the pretrained generator. This view explains how exponential-looking finite-budget convergence and polynomial acceleration can all arise from the same mechanism. We also give practical diagnostics for estimating search exponents from finite candidate pools and a proposal-corrected resampling construction that provides a fully certified sampler instance.

Discrete diffusion models generate structured sequences by progressively unmasking tokens, but enforcing global property constraints during generation remains an open challenge. We propose primal-dual guided decoding, an inference-time method that formulates constrained generation as a KL-regularised optimisation problem and solves it online via adaptive Lagrangian multipliers. At each denoising step, the method modifies token logits through an additive, constraint-dependent bias, with multipliers updated by mirror descent based on constraint violation. The bias arises as the optimal KL-regularised projection of the constraint, so the constrained distribution remains as close as possible to the model's unconstrained distribution while still satisfying the constraint. The method requires no retraining and no additional model evaluations beyond standard sampling, supports multiple simultaneous constraints, and provides formal bounds on constraint violation. We evaluate our approach on topical text generation, molecular design, and music playlist generation, showing that a single algorithm instantiated via domain-specific scoring functions improves constraint satisfaction while preserving relevant domain-specific quality metrics.

Feedforward 3D Gaussian Splatting (3DGS) often struggles in trajectory-based sparse-view driving scenes. Existing Gaussian repair methods mainly target optimization-based 3DGS, while diffusion-based repair is typically restricted to iterative refinement near observed viewpoints, leaving feedforward 3DGS repair underexplored. We propose ConFixGS, a plug-and-play method that learns to fix feedforward 3DGS with confidence-aware diffusion priors. Starting from a pretrained feedforward model, ConFixGS generates diffusion-enhanced local pseudo-targets and validates them through reprojection-based cross-checking against support views. The resulting dense confidence maps guide refinement, enhancing reliable details while suppressing hallucinated or inconsistent evidence. On Waymo, nuScenes, and KITTI, ConFixGS improves challenging novel view synthesis, with PSNR gains of up to 3.68 dB and FID reduced by nearly half. Our results highlight confidence-aware fusion of generative priors and support-view consistency as a key principle for robust feedforward 3D driving scene reconstruction.

Generating human motion that satisfies customized zero-shot goal functions, enabling applications such as controllable character animation and behavior synthesis for virtual agents, is a critical capability. While current approaches handle many unseen constraints, they fail on tasks with very challenging spatiotemporal restrictions, such as severe spatial obstacles or specified numbers of walking steps. To equip motion generators for these highly constrained tasks, we present a retrieval-guided method built on the training-free diffusion noise optimization framework. The key idea is to search within large motion datasets for guidance that can potentially satisfy difficult constraints. We introduce relational task parsing to group target constraints and identify the difficult ones to be handled by retrieved reference. A better initialization for diffusion noise is then obtained via a reward-guided mask that combines random noise with retrieved noise. By optimizing diffusion noise from this improved initialization, we successfully solve highly constrained generation tasks. By leveraging LLM for relational task parsing, the whole framework is further enabled to automatically reason for what to retrieve, improving the intelligence of moving agents under a training-free optimization scheme.

Diffusion guidance is a powerful technique that enables controllable and high-fidelity sample generation with diffusion models. At a high level, it modifies the score function by incorporating a guidance term that steers the generative process toward a desired condition. Despite its empirical success, the theoretical properties of diffusion guidance remain largely unexplored, and it is not well understood why it consistently produces high-quality samples. In this work, we explain the effectiveness of diffusion guidance by establishing a robustness of support property. Specifically, we show that, given exact access to the score functions, guided diffusion processes almost always generate samples that remain close to the target support. This property is particularly desirable, as samples that lie off the support are often structurally implausible and may adversely affect downstream tasks. Our analysis covers both Denoising Diffusion Implicit Models (DDIM) and Denoising Diffusion Probabilistic Models (DDPM), and applies to a wide range of discretization schemes induced by exponential integrators. Our results provide a rigorous foundation for understanding why diffusion guidance produces physically meaningful and structurally plausible samples.

Diffusion-based posterior samplers use pretrained diffusion priors to sample from measurement- or reward-conditioned posteriors, and are widely used for inverse problems. Yet their theoretical behavior remains poorly understood: even with exact prior scores, their outputs are biased, and in low-temperature regimes their discretizations can become unstable. We characterize this bias by introducing a tractable surrogate path connecting the true posterior to a standard Gaussian and comparing it to the sampler's path. Their density ratio satisfies a parabolic PDE whose reaction term measures the accumulated bias. A Feynman-Kac representation then expresses the Radon-Nikodym correction as an explicit path expectation, identifying which posterior regions are over- or under-sampled. We apply this framework to DPS and STSL, a related sampler. For DPS, the correction is an Ornstein-Uhlenbeck path expectation coupling the data conditional covariance with the reward curvature, revealing where DPS over- or under-samples. Next, we reinterpret STSL as an auxiliary drift that steers trajectories toward low-uncertainty regions, flattening the spatially varying part of the DPS reaction term. Finally, we characterize early guidance-stopping, a common mitigation for low-temperature instabilities caused by forward-Euler integration of the vector field. Together, these results clarify sampler bias, explain existing correctives, and guide stable variant designs.

Compositional diffusion planning generates long-horizon trajectories by stitching together overlapping short-horizon segments through score composition. However, when local plan distributions are multimodal, existing compositional methods suffer from mode-averaging, where averaging incompatible local modes leads to plans that are neither locally feasible nor globally coherent. We propose Refining Compositional Diffusion (RCD), a training-free guidance method that steers compositional sampling toward high-density, globally coherent plans. RCD leverages the self-reconstruction error of a pretrained diffusion model as a proxy for the log-density of composed plans, combined with an overlap consistency term that enforces consistency at segment boundaries. We show that the combined guidance concentrates sampling on high-density plans that mitigate mode-averaging. Experiments on challenging long-horizon tasks from OGBench, including locomotion, object manipulation, and pixel-based observations, demonstrate that RCD consistently outperforms existing methods.

Offline safe reinforcement learning often requires policies to adapt at deployment time to safety budgets that vary across episodes or change within a single episode. While diffusion-based planners enable flexible trajectory generation, existing guidance schemes often treat reward improvement and constraint satisfaction as competing gradient objectives, which can lead to unreliable safety compliance under cost limits. We reinterpret adaptive safe trajectory generation as sampling from a constrained trajectory distribution, where the budget restricts the trajectory region, and reward shapes preferences within that region. This perspective motivates Safe Decoupled Guidance Diffusion (SDGD), which conditions classifier-free guidance on the cost limit to bias sampling toward trajectories satisfying the specified limit, while using reward-gradient guidance to refine trajectories for higher return. Because direct reward guidance can increase return while also steering samples toward trajectories with higher cumulative cost, we introduce Feasible Trajectory Relabeling (FTR) to reshape reward targets and discourage such directions. We further provide a first-order sampling-time analysis showing that FTR suppresses reward-induced cost drift under a prefix-restorative alignment condition. Extensive evaluations on the DSRL benchmark show that SDGD achieves the strongest safety compliance among baselines, satisfying the constraint on 94.7% of tasks (36/38), while obtaining the highest reward among safe methods on 21 tasks.

We present KinetiDiff, a structure-based framework for de novo kinase inhibitor design that integrates a Geometry-Complete Diffusion Model with real-time AutoDock Vina gradient guidance. By injecting physics-based docking gradients into the diffusion denoising loop, KinetiDiff steers molecule generation toward high-affinity conformations for ACVR1 (ALK2), the causative kinase in Fibrodysplasia Ossificans Progressiva. From 10,000 diffusion samples, the framework produced 9,997 valid molecules. The best candidate achieved $-11.05$ kcal/mol (pKd = 8.10), a 19.2% improvement over the crystallographic reference. The top 100 candidates all exceed the reference, with 100% Lipinski compliance, median synthetic accessibility of 2.67, and internal diversity of 0.790. Systematic ablation across four guidance strategies--Vina-Direct (physics), HNN-Denovo (neural proxy), multi-objective, and unguided--demonstrates that real-time docking guidance dominates on all metrics. We evaluate HNN-Denovo as a computationally efficient alternative (60-fold speedup per step), revealing a domain-mismatch limitation (r = 0.224 correlation with Vina) that explains its inferior performance. These results establish gradient-guided geometric diffusion as a practical approach for generating potent, synthetically accessible inhibitors against rare-disease kinase targets.

Coarse-guided visual generation, which synthesizes fine visual samples from degraded or low-fidelity coarse references, is essential for various real-world applications. While training-based approaches are effective, they are inherently limited by high training costs and restricted generalization due to paired data collection. Accordingly, recent training-free works propose to leverage pretrained diffusion models and incorporate guidance during the sampling process. However, these training-free methods either require knowing the forward (fine-to-coarse) transformation operator, e.g., bicubic downsampling, or are difficult to balance between guidance and synthetic quality. To address these challenges, we propose a novel guided method by using the h-transform, a tool that can constrain stochastic processes (e.g., sampling process) under desired conditions. Specifically, we modify the transition probability at each sampling timestep by adding to the original differential equation with a drift function $h$, which approximately steers the generation toward the ideal fine sample. To address unavoidable approximation errors, we introduce an adaptive weight scheduler that combines a noise-level-aware initialization with a correction based on cross-timestep consistency, balancing guidance adherence and synthesis quality. Extensive experiments across diverse image and video generation tasks demonstrate its effectiveness and generalization.

Flow-based generative methods offer a simple and effective framework for high-fidelity generation, yet pretrained flow models are rarely used in their vanilla conditional form: in image generation, samples without guidance often appear diffuse and lack fine-grained detail. Existing guidance techniques such as classifier-free guidance (CFG) improve fidelity but reduce sample diversity. We introduce Momentum Guidance (MG), a guidance method that improves sample quality by extrapolating the current velocity away from an exponential moving average of past velocities along the ODE trajectory, while preserving the standard one-evaluation-per-step cost. MG provides gains beyond CFG, improving the precision-recall Pareto frontier. Experiments demonstrate the effectiveness of MG across benchmarks. On ImageNet-256, MG improves FID by 36.54% without CFG and 25.42% with CFG on average across sampling settings, attaining an FID of 1.553 at 16 sampling steps. Evaluations on large flow-based models, including Stable Diffusion 3 and FLUX.1-dev, further confirm improvements across standard metrics.

In diffusion and flow-matching generative models, guidance techniques are widely used to improve sample quality and consistency. Classifier-free guidance (CFG) is the de facto choice in modern systems and achieves this by contrasting conditional and unconditional samples. Recent work explores contrasting negative samples at inference using a weaker model, via strong/weak model pairs, attention-based masking, stochastic block dropping, or perturbations to the self-attention energy landscape. While these strategies refine the generation quality, they still lack a reliable control over the granularity or difficulty of the negative samples, and target-layer selection is often fixed. We propose Exponential Moving Average Guidance (EMAG), a training-free mechanism that modifies attention at inference time in diffusion transformers, with a statistics-based, adaptive layer-selection rule. Unlike prior methods, EMAG produces harder, semantically faithful negatives (fine-grained degradations), surfacing difficult failure modes, enabling the denoiser to refine subtle artifacts, boosting the quality and human preference score (HPS) by +0.54 over CFG. We further demonstrate that EMAG naturally composes with advanced orthogonal guidance techniques, such as APG and CADS, further improving HPS.

Diffusion models provide powerful generative priors for solving inverse problems by sampling from a posterior distribution conditioned on corrupted measurements. Existing methods primarily follow two paradigms: direct methods, which approximate the likelihood term, and proximal methods, which incorporate intermediate solutions satisfying measurement constraints into the sampling process. Under standard Gaussian approximations and locally-linear measurements, we demonstrate that these approaches differ fundamentally in their treatment of the diffusion denoiser's Jacobian within the likelihood term. While this Jacobian encodes critical prior knowledge of the data distribution, training-induced non-idealities can degrade performance in zero-shot settings. In this work, we bridge direct and proximal approaches by proposing a principled Jacobian-Aware Posterior Sampler (JAPS). JAPS leverages the Jacobian's prior knowledge while mitigating its detrimental effects through a corresponding proximal solution, requiring no additional computational cost. Additionally, we integrate our guidance into DDIM sampling, with a corrected conditional factor that has been missing in previous works. Our method enhances reconstruction quality across diverse linear and nonlinear noisy imaging tasks, outperforming existing diffusion-based baselines in perceptual quality while maintaining or improving distortion metrics.

Diffusion Large Language Models (dLLMs) have shown strong reasoning capabilities, yet further improving them typically requires costly post-training with additional data and supervision. We ask whether a post-trained dLLM can improve itself at inference time without additional training, data, or reward models. This requires a guidance signal from the checkpoints alone that is well-defined on the partially masked intermediate states of dLLMs, which existing methods fail to provide. Here we propose Reward-Free Guidance (RFG), a training-free framework for inference-time self-improvement of dLLMs that derives such a signal from the checkpoints themselves. We theoretically demonstrate that a reward signal for a partially masked state can be parameterized by the log-likelihood ratio between a post-trained policy dLLM and its reference model. In practice, this signal can be obtained using off-the-shelf checkpoints alone. Extensive experiments show that RFG consistently improves state-of-the-art post-trained dLLMs by up to 16.1%. Furthermore, despite being entirely training-free, RFG delivers gains that rival or even surpass resource-intensive reinforcement learning techniques.

Motion retargeting for specific robot from existing motion datasets is one critical step in transferring motion patterns from human behaviors to and across various robots. However, inconsistencies in topological structure, geometrical parameters as well as joint correspondence make it difficult to handle diverse embodiments with a unified retargeting architecture. In this work, we propose a novel unified graph-conditioned diffusion-based motion generation framework for retargeting reference motions across diverse embodiments. The intrinsic characteristics of heterogeneous embodiments are represented with graph structure that effectively captures topological and geometrical features of different robots. Such a graph-based encoding further allows for knowledge exploitation at the joint level with a customized attention mechanisms developed in this work. For lacking ground truth motions of the desired embodiment, we utilize an energy-based guidance formulated as retargeting losses to train the diffusion model. As one of the first cross-embodiment motion retargeting methods in robotics, our experiments validate that the proposed model can retarget motions across heterogeneous embodiments in a unified manner. Moreover, it demonstrates a certain degree of generalization to both diverse skeletal structures and similar motion patterns.

As Classifier-Free Guidance (CFG) has proven effective in conditional diffusion model sampling for improved condition alignment, many applications use a negated CFG term as a Negative Prompting (NP) to filter out unwanted features from samples. However, simply negating CFG guidance creates an inverted probability distribution, often distorting samples away from the marginal distribution. Inspired by recent advances in conditional diffusion models for inverse problems, here we present a novel method to achieve guidance toward the given condition using contrastive loss. Specifically, our guidance term aligns or repels the denoising direction based on the given condition through contrastive loss, achieving a similar guiding effect to traditional CFG for positive conditions while overcoming the limitations of existing negative guidance methods. Experimental results demonstrate that our approach effectively injects or removes the given concepts while maintaining sample quality across diverse scenarios, from simple class conditions to complex and overlapping text prompts.

Diffusion models are increasingly used not only for sampling from learned data distributions, but also for generating samples that optimize task-specific objectives. A common approach is to guide the reverse diffusion process using gradients of an external objective. However, when the data distribution is supported on a structured feasible set, such as a manifold or a constraint set, gradient guidance can move samples away from the learned data geometry. In this paper, we study a simple projected-gradient-guided diffusion update based on the observation that the Stein denoising operator can act as an approximate projection onto the data geometry. The proposed update incorporates the objective gradient inside the denoising step, yielding an inference-time method that uses only a pretrained denoiser and gradient evaluations. We analyze this update as an inexact projected-gradient method for constrained optimization over learned feasible geometries. Our theory covers three settings: linear manifolds, compact convex feasible sets, and compact Riemannian submanifolds. In all these settings, we prove descent and finite-time convergence guarantees. Numerical experiments support the theoretical interpretation and illustrate how the proposed update balances objective descent with preservation of the learned geometry.